Materials from the 2014 RDKit UGM
☆10Apr 14, 2015Updated 11 years ago
Alternatives and similar repositories for UGM_2014
Users that are interested in UGM_2014 are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Rapid construction of chemical pipelines in interactive notebooks and cli usage☆14Sep 4, 2026Updated last month
- Ready-To-Use Pymol Plugin for Docking and Minimization☆11Nov 15, 2025Updated 11 months ago
- Protein-Ligand Interaction Fingerprints☆21Dec 23, 2020Updated 5 years ago
- ☆13May 26, 2022Updated 4 years ago
- End-to-end ML workflow based on the talk I gave in CHE596.☆12Jul 26, 2024Updated 2 years ago
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- A collection of scripts for retrieving, storing, and querying SureChEMBL data.☆42Jul 11, 2024Updated 2 years ago
- AutoCorrelation of Pharmacophore Features☆15Mar 6, 2023Updated 3 years ago
- ☆10Mar 27, 2025Updated last year
- ☆15Jul 5, 2022Updated 4 years ago
- ☆12Mar 16, 2024Updated 2 years ago
- Python client for the Open Targets REST API at targetvalidation.org☆26Aug 22, 2025Updated last year
- A versatile workflow for the generation of receptor-based pharmacophore models for virtual screening☆33May 22, 2025Updated last year
- PyRod - Tracing water molecules in molecular dynamics simulations☆59Oct 31, 2025Updated 11 months ago
- 🔍 Fit3D - An application for template-based detection of small structural motifs in protein structures and macromolecular structure data…☆11Oct 16, 2018Updated 8 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- This is the repository of code and data for paper "Machine learning-enabled chemical space exploration of all-inorganic perovskites for p…☆12Sep 23, 2024Updated 2 years ago
- Resources used to create the myChEMBL virtual machine☆56Mar 20, 2017Updated 9 years ago
- ChemSpaceAL: An Efficient Active Learning Methodology Applied to Protein-Specific Molecular Generation☆17Dec 14, 2023Updated 2 years ago
- the simple alchemistry test set☆10Nov 20, 2025Updated 11 months ago
- The official codebase for the paper "A Hitchhiker's Guide to Deep Chemical Language Processing for Bioactivity Prediction"☆13Mar 26, 2025Updated last year
- ☆42Nov 10, 2020Updated 5 years ago
- GaudiMM: A modular optimization platform for molecular design☆32May 10, 2024Updated 2 years ago
- A novel method that quantitatively evaluates the impact of PLM in PLI predictions.☆12Sep 14, 2023Updated 3 years ago
- DockCADD An automated computational framework for molecular docking☆15Mar 31, 2026Updated 6 months ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- Glyph: optical chemical structure recognition (OCSRGlyph) and Markush structure recognition (MarkushGlyph)☆26Jul 30, 2026Updated 2 months ago
- Source code for "A novel methodology on distributed representations of proteins using their interacting ligands"☆27Feb 23, 2020Updated 6 years ago
- ☆28Jul 3, 2024Updated 2 years ago
- KDS software for Kinase Drug Selectivity☆10Jun 22, 2026Updated 3 months ago
- ☆20Sep 14, 2024Updated 2 years ago
- Codebase for fine-tuning Llama2 70B to generate math test questions and answers.☆10Aug 30, 2024Updated 2 years ago
- ☆14May 15, 2024Updated 2 years ago
- Chemical Structure Handling for Pandas DataFrames☆34Feb 6, 2023Updated 3 years ago
- Lamarckian Evolutionary Algorithm for de novo Drug Design☆27Mar 3, 2023Updated 3 years ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Community-curated resources for research at the intersection of AI and molecular sciences☆18Aug 12, 2024Updated 2 years ago
- ☆52Oct 8, 2020Updated 6 years ago
- Discrete Cosine Spectral Diffusion for Protein Dynamics☆15Aug 31, 2026Updated last month
- A PyMOL plugin with accompanying Docker image for kinase inhibitor binding and affinity prediction☆12Jun 3, 2024Updated 2 years ago
- An introduction to small molecule drug design with practicals☆15Sep 10, 2026Updated last month
- A PyQt5-based interactive tool for aligning and visualizing molecular analogs with customizable highlighting, transformations, and high-r…☆13Apr 29, 2026Updated 5 months ago
- Predict allosteric pockets on proteins☆15Mar 28, 2022Updated 4 years ago